SCHEMBL9388644

SCHEMBL9388644

O=C(NC1CCC(=O)N1C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
GPR55 Q9Y2T6 2/20 0.47
TLR4 O00206 1/20 0.47
EPHX1 P07099 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CPB1 P15086 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9383757 1.00 ALDH1A1 (0.51) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL9383513 0.81 ALDH1A1 (0.50) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL9383510 0.81 ALDH1A1 (0.50) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL9384392 0.81 ALDH1A1 (0.50) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL9382299 0.80 ALDH1A1 (0.48) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL3600152 0.79 SMN1; SMN2 (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3845188 0.79 SMN1; SMN2 (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL12849555 0.79 HTR2C (0.56) NPC1RAB9ASMN1; SMN2
SCHEMBL3600148 0.79 SMN1; SMN2 (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14879565 0.78 SMN1; SMN2 (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611371-A1 PROCESS FOR THE PREPARATION OF CONDENSED IMIDAZOLES Smithkline Beecham Farmaceutici S.p.A. (IT) 1994-08-24 EP disclosed
WO-1993009120-A1 PROCESS FOR THE PREPARATION OF CONDENSED IMIDAZOLES SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1993-05-13 WO disclosed